2-((4-Methoxyphenyl)ethynyl)aniline

Base Information

• Chemical Name: 2-((4-Methoxyphenyl)ethynyl)aniline
• CAS No.: 157869-15-3
• Molecular Formula: C15H13NO
• Molecular Weight: 223.274
• DSSTox Substance ID: DTXSID301273031
• Nikkaji Number: J583.489I
• Mol file: 157869-15-3.mol

Synonyms:2-((4-Methoxyphenyl)ethynyl)aniline;157869-15-3;2-[2-(4-methoxyphenyl)ethynyl]aniline;2-((4-Methoxyphenyl)ethynyl)benzeneaMine;2-[(4-methoxyphenyl)ethynyl]aniline;2-(4-Methoxyphenylethynyl)aniline;DTXSID301273031;MFCD00168852;DS-18774;2-[2-(4-Methoxyphenyl)ethynyl]benzenamine;CS-0150439;F21366;10.14272/YAXVIURCVHCTST-UHFFFAOYSA-N.1;doi:10.14272/YAXVIURCVHCTST-UHFFFAOYSA-N.1

Chemical Property of 2-((4-Methoxyphenyl)ethynyl)aniline

Chemical Property:

• Melting Point: 99-102 °C
• Boiling Point: 394.6±27.0 °C(Predicted)
• PKA: 2.79±0.10(Predicted)
• PSA: 35.25000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 3.25840
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

2-((4-Methoxyphenyl)ethynyl)aniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C#CC2=CC=CC=C2N

Technology Process of 2-((4-Methoxyphenyl)ethynyl)aniline

There total 15 articles about 2-((4-Methoxyphenyl)ethynyl)aniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-iodophenylamine (615-43-0) + 4-methoxyphenylacetylen (768-60-5) → 2-((4-methoxyphenyl)ethynyl)aniline (157869-15-3)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In tetrahydrofuran; at 20 ℃; for 144h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6dt04725d

Reference yield: 94.0%

2-ethynylaniline (52670-38-9) + para-iodoanisole (696-62-8) → 2-((4-methoxyphenyl)ethynyl)aniline (157869-15-3)

Guidance literature:

para-iodoanisole; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

2-ethynylaniline; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.6b08925

Reference yield: 90.0%

4-methoxyphenylacetylen (768-60-5) → 2-((4-methoxyphenyl)ethynyl)aniline (157869-15-3)

Guidance literature:

With pyrrolidine; at 85 ℃;

DOI:10.1016/j.tet.2010.06.083

upstream raw materials:

2-iodophenylamine

4-methoxyphenylacetylen

2-ethynylaniline

para-iodoanisole

Downstream raw materials:

2-(4-methoxyphenyl)-1H-indole

4-bromo-3-(4-methoxyphenyl)cinnoline

4-chloro-3-(4-methoxyphenyl)cinnoline

2-(4-methoxyphenyl)-N-phenyl-1H-indole-1-carboxamide